Cas no 405273-63-4 (Cyclohexanecarboxylicacid, 2,5-dioxo-)
405273-63-4 structure
Product Name:Cyclohexanecarboxylicacid, 2,5-dioxo-
CAS No:405273-63-4
MF:C7H8O4
MW:156.136022567749
CID:326053
PubChem ID:17778914
Update Time:2025-04-19
Cyclohexanecarboxylicacid, 2,5-dioxo- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylicacid, 2,5-dioxo-
- 2,5-dioxocyclohexane-1-carboxylic acid
- Cyclohexanecarboxylic acid, 2,5-dioxo- (9CI)
- 405273-63-4
- DTXSID50590946
-
- Inchi： 1S/C7H8O4/c8-4-1-2-6(9)5(3-4)7(10)11/h5H,1-3H2,(H,10,11)
- InChI Key： GMHPIZGOSZIGNU-UHFFFAOYSA-N
- SMILES： O=C1CCC(CC1C(=O)O)=O
Computed Properties
- Exact Mass: 156.04225873g/mol
- Monoisotopic Mass: 156.04225873g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 219
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.3
- Topological Polar Surface Area: 71.4?2
Cyclohexanecarboxylicacid, 2,5-dioxo- Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
405273-63-4 (Cyclohexanecarboxylicacid, 2,5-dioxo-) Related Products
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